Glycoside
GD157315
Name:
{7-[(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-2,3b,5-trihydroxy-1-[6-hydroxy-5-(propan-2-yl)hex-3-en-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl}oxidanesulfonic acidFormula:
C34H58O13SSmiles:
COC1C(OC2CCC3(C)C(C2)C(O)CC2(O)C3CCC3(C)C(C(C)C=CC(CO)C(C)C)C(O)C(OS(=O)(=O)O)C32)OCC(O)C1OAglycone:
CC(C)C(C=CC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)COSugarmoiety:
COC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 10 |
| MolWt: | 706.89 | Num_heavy_atoms: | 48 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD49646
Formula: C28H48O9S
Smiles:
CC(C)C(C=CC(C)C1C(O)C(OS(=O)(=O)O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)CO| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 560.75 | Num_heavy_atoms: | 38 |
| TPSA: | 164.75 | NumAromaticRings: | 0 |
